Molecule

ID:94852

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrF₄S
Molecular Mass
287.0720328
Exact Mass
285.90749598
Charge
0
InChI
InChI=1S/C8H3BrF4S/c9-4-1-2-6-5(3-4)7(10,11)8(12,13)14-6/h1-3H
InChIKey
YWTXBWOPVHEDLI-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(F)(F)C(S2)(F)F
Isomeric Smiles
S1c2c(cc(cc2)Br)C(C1(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.285433
LogD (pH = 7.4)
4.285433
Log P
4.285433
Molar Refractivity
50.4278
Polarizability
18.728542
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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